SCHEMBL31661564

SCHEMBL31661564

COc1ccc(-c2nc(-c3ccc(-c4nc(C(F)(F)F)cn4C)cc3)no2)c(N2CCN(C)CC2)c1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 3/20 0.44
KMT2A Q03164 3/20 0.44
KDM4E B2RXH2 3/20 0.44
ALOX15 P16050 1/20 0.44
SMN1; SMN2 Q16637 4/20 0.42
TP53 P04637 3/20 0.42
NFKB1 P19838 2/20 0.42
NFKB2 Q00653 2/20 0.42
RELA Q04206 2/20 0.42
NPC1 O15118 5/20 0.41
RAB9A P51151 5/20 0.41
MAPT P10636 5/20 0.41
ALDH1A1 P00352 2/20 0.41
HTT P42858 1/20 0.41
HSD17B10 Q99714 1/20 0.41
TDP1 Q9NUW8 1/20 0.41
L3MBTL1 Q9Y468 1/20 0.41
USP1 O94782 2/20 0.40
S1PR1 P21453 2/20 0.39
POLB P06746 1/20 0.39

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL31661583 0.92 S1PR1 (0.47) MEN1KMT2AKDM4ESMN1; SMN2TP53
SCHEMBL31661794 0.90 S1PR1 (0.41) MEN1KMT2AKDM4EALOX15SMN1; SMN2
SCHEMBL31661757 0.89 HTR3A (0.40) MEN1KMT2AKDM4ESMN1; SMN2TP53
SCHEMBL31661554 0.89 SMN1; SMN2 (0.40) MEN1KMT2AKDM4EALOX15SMN1; SMN2
SCHEMBL31661611 0.87 NPC1 (0.41) MEN1KMT2AKDM4ESMN1; SMN2TP53
SCHEMBL31661825 0.86 SMN1; SMN2 (0.39) MEN1KMT2AKDM4ESMN1; SMN2TP53
SCHEMBL31661688 0.86 SMN1; SMN2 (0.39) MEN1KMT2AKDM4ESMN1; SMN2TP53
SCHEMBL31661780 0.84 NPC1 (0.52) MEN1KMT2AKDM4ESMN1; SMN2TP53
SCHEMBL31661726 0.82 USP1 (0.41) SMN1; SMN2ALDH1A1HTTUSP1S1PR1
SCHEMBL31661584 0.82 NR1H4 (0.37) MEN1KMT2AKDM4EALOX15SMN1; SMN2

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2025151705-A1 NOVEL INHIBITORS OF DNA DAMAGE REPAIR PATHWAY VRISE THERAPEUTICS, INC. (US) 2025-07-17 WO claimed
WO-2025151705-A1 NOVEL INHIBITORS OF DNA DAMAGE REPAIR PATHWAY VRISE THERAPEUTICS, INC. (US) 2025-07-17 WO disclosed